LAMMPS (27 Nov 2018)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
  using 1 OpenMP thread(s) per MPI task
# pour particles into cone-shaped funnel, settle them, let them run out bottom

variable	name string funnel_pour

thermo_modify	flush yes
units 		si
variable	PI equal 3.141592653589
variable	seed equal 14314

###############################################
# Geometry-related parameters
###############################################

variable	xlo equal 10
variable	xhi equal 40
variable	ylo equal 10
variable	yhi equal 40
variable	zlo equal -20
variable	zhi equal 50

variable	xc equal 25
variable	yc equal 25

variable	zconehi equal 50
variable	zconelo equal 10
variable	zcyllo equal 0
variable	radconelo equal 2
variable	radconehi equal 20

################################################
# Particle sizes
################################################

variable	rlo equal 0.25
variable	rhi equal 0.5
variable	dlo equal 2.0*${rlo}
variable	dlo equal 2.0*0.25
variable	dhi equal 2.0*${rhi}
variable	dhi equal 2.0*0.5

variable 	skin equal ${rhi}
variable 	skin equal 0.5

###############################################
# Granular contact parameters
###############################################

variable	coeffRes equal 0.1
variable	coeffFric equal 0.5

variable	density equal 1.0
variable	EYoung equal 10^5
variable 	Poisson equal 2.0/7.0
variable	GShear equal ${EYoung}/(2*(1+${Poisson}))
variable	GShear equal 100000/(2*(1+${Poisson}))
variable	GShear equal 100000/(2*(1+0.285714285714286))

variable	gravity equal 1.0

variable	reff equal 0.5*(${rhi}+${rlo})
variable	reff equal 0.5*(0.5+${rlo})
variable	reff equal 0.5*(0.5+0.25)
variable	meff equal ${density}*4.0/3.0*${PI}*${reff}^3
variable	meff equal 1*4.0/3.0*${PI}*${reff}^3
variable	meff equal 1*4.0/3.0*3.141592653589*${reff}^3
variable	meff equal 1*4.0/3.0*3.141592653589*0.375^3
variable	min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*3.141592653589*${rlo}*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*${rlo}
variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*0.25
variable	max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
variable	max_mass equal 1*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
variable	max_mass equal 1*4.0/3.0*3.141592653589*${rhi}*${rhi}*${rhi}
variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*${rhi}*${rhi}
variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*${rhi}
variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*0.5

## Typical way to set kn, kt, etc.:
variable        kn equal 4.0*${GShear}/(3*(1-${Poisson}))
variable        kn equal 4.0*38888.8888888889/(3*(1-${Poisson}))
variable        kn equal 4.0*38888.8888888889/(3*(1-0.285714285714286))
variable        kt equal 4.0*${GShear}/(2-${Poisson})
variable        kt equal 4.0*38888.8888888889/(2-${Poisson})
variable        kt equal 4.0*38888.8888888889/(2-0.285714285714286)

variable	a equal (-2.0*log(${coeffRes})/${PI})^2
variable	a equal (-2.0*log(0.1)/${PI})^2
variable	a equal (-2.0*log(0.1)/3.141592653589)^2
variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569556*2*${kn}/${min_mass}/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/${min_mass}/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*0.405284734569556))
variable        gamma_t equal ${gamma_n}*0.5
variable        gamma_t equal 903.503751814138*0.5

variable	tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
variable	tcol equal 3.141592653589/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/${min_mass}-${gamma_n}/4.0)
variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-${gamma_n}/4.0)
variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-903.503751814138/4.0)

variable	dt equal ${tcol}*0.05
variable	dt equal 0.00210943016014969*0.05
timestep	${dt}
timestep	0.000105471508007485

###############################################
variable	dumpfreq equal 1000
variable	logfreq equal 1000

newton 		off
atom_style	sphere

boundary	p p f

region		boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
region		boxreg block 10 ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
region		boxreg block 10 40 ${ylo} ${yhi} ${zlo} ${zhi}
region		boxreg block 10 40 10 ${yhi} ${zlo} ${zhi}
region		boxreg block 10 40 10 40 ${zlo} ${zhi}
region		boxreg block 10 40 10 40 -20 ${zhi}
region		boxreg block 10 40 10 40 -20 50
create_box	1 boxreg
Created orthogonal box = (10 10 -20) to (40 40 50)
  1 by 1 by 4 MPI processor grid

pair_style	gran/hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1
pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1
pair_coeff	* *

neighbor        ${skin} bin
neighbor        0.5 bin
thermo 		${logfreq}
thermo 		1000

comm_style	brick
comm_modify 	mode multi group all vel yes
balance		1.1 shift xyz 20 1.1
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 0
  ghost atom cutoff = 0
  binsize = 30, bins = 1 1 3
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair gran/hertz/history, perpetual
      attributes: half, newton off, size, history
      pair build: half/size/bin/newtoff
      stencil: half/bin/3d/newtoff
      bin: standard
fix		bal all balance 10000 1.1 shift xyz 20 1.01

####################### Options specific to pouring #########################

# insertion region for fix/pour

region	     	insreg cylinder z ${xc} ${yc} 10 30 50 side in units box
region	     	insreg cylinder z 25 ${yc} 10 30 50 side in units box
region	     	insreg cylinder z 25 25 10 30 50 side in units box

# define cone and cylinder regions - see lammps doc on region command
# note new open options

region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 #Top is open
region	    	cylreg cylinder z 25 ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 
region	    	cylreg cylinder z 25 25 ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 
region	    	cylreg cylinder z 25 25 2 		${zcyllo} ${zconelo} side in units box 		open 2 
region	    	cylreg cylinder z 25 25 2 		0 ${zconelo} side in units box 		open 2 
region	    	cylreg cylinder z 25 25 2 		0 10 side in units box 		open 2 

region		conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 #Bottom and top are open
region		conereg cone z 25 ${yc} ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
region		conereg cone z 25 25 ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
region		conereg cone z 25 25 2 ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
region		conereg cone z 25 25 2 20 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
region		conereg cone z 25 25 2 20 		10 ${zconehi} side in units box 		open 1 open 2 
region		conereg cone z 25 25 2 20 		10 50 side in units box 		open 1 open 2 

region		hopreg union 2 conereg cylreg

fix		grav all gravity ${gravity} vector 0 0 -1
fix		grav all gravity 1 vector 0 0 -1
fix		1 all nve/sphere


fix		hopper3 all wall/gran/region hertz/history                 ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg

fix		ins all pour 2000 1 42424 region insreg 		diam range ${dlo} ${dhi} dens ${density} ${density}
fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 ${dhi} dens ${density} ${density}
fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens ${density} ${density}
fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens 1 ${density}
fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens 1 1
Particle insertion: 3000 every 59965 steps, 2000 by step 1

#dump		1 all custom ${dumpfreq} ${name}.dump #		id type mass diameter x y z

#dump		2 all image 4000 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30 zoom 3.0 #                box no 0.0 axes no 0.0 0.0
#dump_modify	2 pad 6

thermo_style	custom step cpu atoms ke
WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705)
thermo_modify	flush yes lost warn

# Initial run to fill up the cone

run		20000
Per MPI rank memory allocation (min/avg/max) = 6.05 | 6.05 | 6.05 Mbytes
Step CPU Atoms KinEng 
       0            0        0           -0 
    1000   0.63366675     2000           -0 
    2000    1.0221362     2000           -0 
    3000    1.3905275     2000           -0 
    4000    1.7514329     2000           -0 
    5000    2.1040537     2000           -0 
    6000    2.4468088     2000           -0 
    7000    2.7853072     2000           -0 
    8000    3.1109948     2000           -0 
    9000    3.4281557     2000           -0 
   10000    3.7435207     2000           -0 
   11000    3.8612552     2000           -0 
   12000    3.9786677     2000           -0 
   13000    4.0988154     2000           -0 
   14000    4.2249811     2000           -0 
   15000    4.3562138     2000           -0 
   16000    4.4940333     2000           -0 
   17000    4.6394637     2000           -0 
   18000    4.7909062     2000           -0 
   19000    4.9482198     2000           -0 
   20000    5.1116607     2000           -0 
Loop time of 5.11176 on 4 procs for 20000 steps with 2000 atoms

97.4% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.050997   | 0.14884    | 0.36048    |  32.0 |  2.91
Neigh   | 0.01374    | 0.025199   | 0.043743   |   7.0 |  0.49
Comm    | 0.063387   | 0.1781     | 0.29748    |  22.6 |  3.48
Output  | 0.0016627  | 0.0060938  | 0.015082   |   6.8 |  0.12
Modify  | 1.1198     | 1.987      | 3.7195     |  72.6 | 38.87
Other   |            | 2.767      |            |       | 54.12

Nlocal:    500 ave 505 max 493 min
Histogram: 1 0 0 0 0 1 0 1 0 1
Nghost:    159.25 ave 254 max 71 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Neighs:    397.5 ave 616 max 214 min
Histogram: 1 0 1 0 0 0 1 0 0 1

Total # of neighbors = 1590
Ave neighs/atom = 0.795
Neighbor list builds = 69
Dangerous builds = 0
unfix 		ins
run		150000
Per MPI rank memory allocation (min/avg/max) = 12.37 | 12.51 | 12.7 Mbytes
Step CPU Atoms KinEng 
   20000            0     2000    6443.7665 
   21000   0.11261106     2000    6572.3531 
   22000   0.23091817     2000    6723.8376 
   23000   0.35577631     2000    6853.1812 
   24000   0.48790455     2000    6976.0209 
   25000   0.63509274     2000    7096.9955 
   26000   0.78251743     2000    7215.5795 
   27000   0.93707466     2000    7349.2382 
   28000    1.1032445     2000    7471.8719 
   29000    1.2721858     2000    7574.8228 
   30000     1.449265     2000    7659.3836 
   31000    1.5742557     2000    7703.6856 
   32000    1.7076068     2000     7644.279 
   33000    1.8527873     2000    7526.6944 
   34000     2.009855     2000    7370.0821 
   35000    2.1766446     2000    7193.0459 
   36000    2.3557482     2000    6990.9912 
   37000    2.5468907     2000     6849.286 
   38000    2.7480681     2000    6701.7548 
   39000    2.9574037     2000    6538.6915 
   40000    3.1807711     2000    6382.3209 
   41000    3.3486595     2000     6216.424 
   42000    3.5162592     2000      6091.29 
   43000     3.687057     2000    5945.3256 
   44000    3.8662596     2000     5840.875 
   45000    4.0557241     2000     5649.763 
   46000    4.2541051     2000    5476.2837 
   47000    4.4571214     2000    5277.0701 
   48000    4.6628008     2000    5123.9796 
   49000    4.8686502     2000    4968.3344 
   50000    5.0788848     2000    4869.5754 
   51000    5.2552598     2000    4704.8517 
   52000    5.4428713     2000    4522.8978 
   53000    5.6520596     2000    4393.8047 
   54000    5.8613031     2000     4235.438 
   55000    6.0776098     2000    4082.3073 
   56000    6.2998042     2000    3901.0483 
   57000    6.5321434     2000    3718.0882 
   58000    6.7745438     2000     3504.621 
   59000    7.0237701     2000    3285.7484 
   60000    7.2791855     2000    3047.3386 
   61000     7.489058     2000    2875.4032 
   62000    7.7044094     2000      2647.83 
   63000    7.9194827     2000    2396.5343 
   64000    8.1429474     2000    2107.2113 
   65000    8.3745618     2000    1858.1977 
   66000     8.610673     2000    1615.8096 
   67000    8.8505244     2000    1416.5065 
   68000    9.0955915     2000    1206.8534 
   69000    9.3609676     2000    953.93974 
   70000    9.6382594     2000     766.9148 
   71000    9.8719468     2000    611.45063 
   72000    10.095534     2000    464.94805 
   73000    10.317962     2000    364.31415 
   74000    10.547287     2000    298.77524 
   75000    10.764052     2000    245.73022 
   76000    10.978769     2000     207.8035 
   77000    11.199921     2000     179.1305 
   78000    11.410296     2000    151.21032 
   79000    11.624499     2000    124.49675 
   80000    11.849562     2000    106.71504 
   81000    12.077449     2000    93.299034 
   82000    12.306904     2000    81.220408 
   83000    12.539016     2000    67.383955 
   84000    12.773108     2000    57.287165 
   85000    13.009487     2000    49.255887 
   86000    13.252544     2000    44.082536 
   87000    13.502564     2000    40.193574 
   88000    13.747198     2000    36.903867 
   89000    13.993028     2000     33.55332 
   90000    14.240036     2000    30.730912 
   91000    14.472719     2000    28.650574 
   92000    14.708542     2000    26.377609 
   93000    14.948106     2000    24.433165 
   94000    15.186653     2000    22.933076 
   95000    15.428022     2000     22.31788 
   96000    15.676323     2000    20.829124 
   97000    15.916326     2000    19.401354 
   98000    16.160197     2000    18.943699 
   99000    16.404796     2000    17.690599 
  100000    16.659731     2000    17.215943 
  101000    16.904498     2000    15.948087 
  102000    17.150993     2000    15.140324 
  103000     17.39584     2000    14.885674 
  104000    17.643707     2000    14.414752 
  105000    17.889343     2000    14.270676 
  106000    18.136159     2000    13.943799 
  107000    18.383653     2000    13.840145 
  108000    18.630952     2000    12.826341 
  109000    18.878218     2000    12.209012 
  110000    19.125558     2000    11.916194 
  111000      19.3726     2000    11.970849 
  112000    19.621494     2000     11.56909 
  113000    19.869978     2000    11.390562 
  114000    20.123402     2000    11.276545 
  115000    20.370963     2000    11.171298 
  116000    20.619975     2000    11.686225 
  117000    20.869585     2000    11.379805 
  118000    21.118875     2000    10.539511 
  119000     21.36837     2000    10.064595 
  120000    21.629511     2000    10.003722 
  121000    21.877867     2000    9.6974586 
  122000    22.127922     2000    9.7156209 
  123000    22.378215     2000     9.615256 
  124000    22.630463     2000    8.8979008 
  125000    22.882154     2000    8.2220003 
  126000    23.135763     2000    8.3153866 
  127000    23.392389     2000    8.0945497 
  128000    23.645521     2000    7.8942467 
  129000     23.89965     2000    7.4794776 
  130000    24.153195     2000    7.3635341 
  131000    24.406239     2000    7.5757743 
  132000     24.66016     2000    7.7047492 
  133000    24.914093     2000    8.0142133 
  134000    25.173429     2000    8.1716714 
  135000    25.433318     2000    7.7803343 
  136000    25.692997     2000    6.3545482 
  137000    25.947787     2000     6.313769 
  138000    26.200427     2000    6.4948596 
  139000    26.452514     2000    6.6183259 
  140000    26.714963     2000    6.7922281 
  141000    26.968235     2000    7.0752448 
  142000    27.220962     2000    7.2328717 
  143000    27.474819     2000     7.626453 
  144000    27.728029     2000    7.4576787 
  145000    27.981958     2000     7.124435 
  146000    28.236591     2000    7.2581589 
  147000    28.489842     2000    7.0622049 
  148000    28.744432     2000    7.1672801 
  149000    28.998739     2000    7.3248363 
  150000    29.253511     2000    7.0092266 
  151000     29.50567     2000    6.8124438 
  152000    29.759836     2000    6.9808705 
  153000    30.015359     2000    7.1516731 
  154000    30.275488     2000    6.6245443 
  155000    30.533407     2000    5.5867165 
  156000    30.788683     2000     5.318949 
  157000    31.043126     2000    5.1195805 
  158000    31.297011     2000    5.2045485 
  159000    31.551327     2000      5.24992 
  160000    31.807728     2000    5.3270577 
  161000    32.061371     2000     4.995281 
  162000    32.315467     2000    5.0755874 
  163000     32.57628     2000    5.0788135 
  164000     32.83119     2000    4.5917317 
  165000    33.085634     2000    4.6255452 
  166000    33.344148     2000    4.2563299 
  167000    33.599342     2000    3.3808566 
  168000    33.853488     2000     3.218931 
  169000    34.121464     2000    3.0839289 
  170000    34.378727     2000    3.0358838 
Loop time of 34.3788 on 4 procs for 150000 steps with 2000 atoms

98.5% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 6.5861     | 10.058     | 12.152     |  68.4 | 29.26
Neigh   | 0.17612    | 0.25274    | 0.30005    |   9.2 |  0.74
Comm    | 1.5024     | 2.6626     | 3.4174     |  44.9 |  7.74
Output  | 0.006542   | 0.019532   | 0.046425   |  11.5 |  0.06
Modify  | 11.945     | 14.674     | 16.29      |  42.7 | 42.68
Other   |            | 6.711      |            |       | 19.52

Nlocal:    500 ave 508 max 489 min
Histogram: 1 0 0 1 0 0 0 0 0 2
Nghost:    446.75 ave 708 max 191 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Neighs:    4498 ave 5441 max 3786 min
Histogram: 1 1 0 0 0 0 1 0 0 1

Total # of neighbors = 17992
Ave neighs/atom = 8.996
Neighbor list builds = 403
Dangerous builds = 0

# remove "plug" - need to redefine cylinder region & union

region	  	cylreg delete
region		hopreg delete
region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 #Bottom & top are open
region	    	cylreg cylinder z 25 ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
region	    	cylreg cylinder z 25 25 ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
region	    	cylreg cylinder z 25 25 2 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
region	    	cylreg cylinder z 25 25 2 		0 ${zconelo} side in units box 		open 1 open 2 
region	    	cylreg cylinder z 25 25 2 		0 10 side in units box 		open 1 open 2 

region		hopreg union 2 cylreg conereg

unfix		hopper3
fix		hopper3 all wall/gran/region hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg

run		100000
Per MPI rank memory allocation (min/avg/max) = 13.68 | 15.35 | 16.59 Mbytes
Step CPU Atoms KinEng 
  170000            0     2000    3.0358838 
  171000   0.25455499     2000    3.7725185 
  172000   0.50768304     2000     4.727285 
  173000   0.76122355     2000    5.9840449 
  174000    1.0141416     2000    8.0335022 
  175000    1.2750733     2000    10.177259 
  176000    1.5277736     2000    13.655163 
  177000    1.7810826     2000    17.987975 
  178000    2.0348532     2000    23.266471 
  179000    2.2915859     2000    29.266364 
  180000     2.547174     2000     35.84089 
  181000    2.8009758     2000    43.130989 
  182000    3.0531759     2000    51.177142 
  183000    3.3130636     2000    60.031831 
  184000    3.5651338     2000     69.52374 
  185000    3.8185399     2000    79.941907 
  186000     4.070199     2000    91.195382 
  187000    4.3204038     2000     102.1696 
  188000    4.5699775     2000    112.73657 
  189000    4.8184452     2000    123.57252 
  190000    5.0653601     2000    135.59942 
  191000    5.3119307     2000    147.37757 
  192000    5.5574484     2000    159.12931 
  193000    5.8029084     2000    170.90271 
  194000    6.0463562     2000    185.71189 
  195000    6.2883332     2000    201.83733 
  196000    6.5281694     2000    218.30785 
  197000    6.7682493     2000    236.05694 
  198000    7.0084231     2000    255.23099 
  199000    7.2519951     2000    273.94566 
  200000    7.5010133     2000    293.91107 
  201000    7.7396591     2000    316.52142 
  202000    7.9784184     2000    340.91391 
  203000     8.224021     2000    364.81801 
  204000    8.4597676     2000    390.06478 
  205000    8.6934731     2000    415.90918 
  206000    8.9342225     2000     441.0995 
  207000    9.1714027     2000    467.40314 
  208000    9.4081488     2000    494.93631 
  209000    9.6457636     2000    524.70539 
  210000    9.8831718     2000    556.52058 
  211000    10.118018     2000    589.36821 
  212000      10.3541     2000     622.6887 
  213000    10.587226     2000    657.05888 
  214000    10.820744     2000    691.14292 
  215000    11.055785     2000    726.94959 
  216000    11.298702     2000    762.92802 
  217000    11.534793     2000    801.23648 
  218000    11.769849     2000     841.1559 
  219000    12.000917     2000     882.4342 
  220000    12.232812     2000     924.8466 
  221000    12.461166     2000    968.86229 
  222000    12.698451     2000    1013.1381 
  223000    12.930287     2000    1058.2988 
  224000    13.172862     2000    1105.2911 
  225000    13.405001     2000    1152.8617 
  226000    13.633187     1999    1197.6777 
  227000    13.857126     1998    1243.1211 
  228000    14.079622     1992    1262.1402 
  229000    14.303362     1987    1281.9162 
  230000    14.530392     1973    1264.0674 
  231000    14.756486     1964    1277.8347 
  232000    14.984495     1953    1266.7926 
  233000    15.213102     1940    1244.0038 
  234000    15.441666     1925    1206.4472 
  235000    15.667547     1914      1193.33 
  236000    15.895047     1901    1160.4096 
  237000    16.120833     1890    1141.6816 
  238000    16.346628     1883    1149.1584 
  239000    16.573303     1877    1141.7514 
  240000    16.801035     1871    1146.8662 
  241000    17.024775     1866     1152.561 
  242000    17.248651     1858    1148.2529 
  243000     17.47241     1847    1114.7239 
  244000     17.70222     1832    1070.9996 
  245000    17.926477     1824    1066.7549 
  246000    18.157588     1813    1027.1865 
  247000    18.378868     1804    1011.5024 
  248000    18.599988     1797    993.10451 
  249000    18.819007     1787    951.89778 
  250000    19.044634     1777    926.30475 
  251000    19.254408     1764    875.07091 
  252000    19.465788     1755    824.89358 
  253000    19.676327     1742    742.51957 
  254000    19.887648     1731    708.30958 
  255000    20.094912     1722    690.09761 
  256000    20.299963     1713    638.00218 
  257000    20.506153     1705    596.86839 
  258000    20.713994     1701    583.71937 
  259000    20.919755     1691     549.0049 
  260000    21.123122     1688     549.4278 
  261000    21.332215     1684    535.35719 
  262000    21.533673     1682    546.74031 
  263000    21.737042     1678    532.69324 
  264000    21.941306     1676    537.89254 
  265000     22.15135     1676    559.50898 
  266000    22.358371     1670    540.21452 
  267000    22.563236     1668    557.19857 
  268000    22.764648     1665    569.52869 
  269000     22.96391     1658    543.77057 
  270000    23.172415     1656    550.23716 
Loop time of 23.1725 on 4 procs for 100000 steps with 1656 atoms

98.5% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 3.3849     | 7.3002     | 10.192     |  91.3 | 31.50
Neigh   | 0.14271    | 0.16781    | 0.19054    |   4.5 |  0.72
Comm    | 1.086      | 1.9721     | 2.6157     |  42.7 |  8.51
Output  | 0.0018437  | 0.013918   | 0.041359   |  13.5 |  0.06
Modify  | 8.6598     | 9.3198     | 9.8874     |  16.6 | 40.22
Other   |            | 4.399      |            |       | 18.98

Nlocal:    414 ave 454 max 385 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Nghost:    395.25 ave 645 max 157 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Neighs:    3498.5 ave 4524 max 2034 min
Histogram: 1 0 0 0 1 0 0 0 0 2

Total # of neighbors = 13994
Ave neighs/atom = 8.45048
Neighbor list builds = 240
Dangerous builds = 0
Total wall time: 0:01:02
